1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C25H18F3N3 — CID 20852513

IUPAC1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C
InChIInChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyLPNZRZVIZRQWMF-UHFFFAOYSA-N
MW417.43 g/mol
LogP6.88
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852513) has the molecular formula C25H18F3N3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID20852513
Molecular FormulaC25H18F3N3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C
InChIInChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyLPNZRZVIZRQWMF-UHFFFAOYSA-N
XLogP6.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 60691
CID 60691
CID 3081185
CID 3081185
CID 9814925
CID 9814925
CID 9944397
CID 9944397
CID 10801657
CID 10801657
CID 10850308
CID 10850308
CID 11470612
CID 11470612
CID 71735206
CID 71735206
CID 150939945
CID 150939945
CID 9818503
CID 9818503
CID 10515839
CID 10515839
CID 10635415
CID 10635415

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 20852513) is 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is LPNZRZVIZRQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 417.43 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).